chempirical

Ethopabate

C12H15NO4CAS 59-06-3237.25 g/mol

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OHNOOO
EsterEther

Properties

Molecular formula
C12H15NO4
Molar mass
237.25 g/mol
Exact mass
237.1001 Da
Melting point
148.5 °C
logP
2.48Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
59-06-3
SMILES
CCOc1cc(N=C(C)O)ccc1C(=O)OC
InChIKey
GOVWOKSKFSBNGD-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester
  • Benzoic acid, 4-acetamido-2-ethoxy-, methyl ester
  • Methyl 4-acetamido-2-ethoxybenzoate
  • 4-Acetamido-2-ethoxybenzoic acid methyl ester
  • Ethyl pabate
  • Methyl 4-(acetylamino)-2-ethoxybenzoate
  • Methyl 2-ethoxy-4-acetamidobenzoate

Work with Ethopabate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-acetamido-2-methoxybenzoate4093-29-273 % similar Methyl 4-acetamido-2-hydroxybenzoate4093-28-164 % similar Methyl 2-ethoxybenzoate3686-55-354 % similar Phenacetin62-44-250 % similar N-1,3-Benzodioxol-5-ylacetamide13067-19-149 % similar 2-Acetamido-5-chlorobenzoic Acid Methyl Ester20676-54-448 % similar 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid99469-99-545 % similar Methyl 4-acetamido-5-chloro-2-ethoxybenzoate4235-43-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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